SCHEMBL29640161

SCHEMBL29640161

CC(=CC#N)C[C@](NC(=O)OCc1ccccc1)(C(=O)OC(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.35
CTSS P25774 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 2/20 0.33
CTSL P07711 4/20 0.32
CTSK P43235 2/20 0.32
MGLL Q99685 1/20 0.32
ROCK2 O75116 1/20 0.32
PREP P48147 2/20 0.32
CCNK O75909 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CTSB P07858 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21112902 0.92 EP300 (0.35) EP300CTSSMEN1KMT2ACTSL
SCHEMBL21112905 0.92 EP300 (0.35) EP300CTSSMEN1KMT2ACTSL
SCHEMBL21112901 0.92 EP300 (0.35) EP300CTSSMEN1KMT2ACTSL
SCHEMBL21149554 0.89 MEN1 (0.37) EP300CTSSMEN1KMT2AELANE
SCHEMBL23114939 0.89 MEN1 (0.37) EP300CTSSMEN1KMT2AELANE
SCHEMBL28407633 0.89 MEN1 (0.33) EP300MEN1KMT2AELANEMGLL
SCHEMBL28407635 0.89 MEN1 (0.33) EP300MEN1KMT2AELANEMGLL
SCHEMBL21149553 0.89 MEN1 (0.33) EP300MEN1KMT2AELANEMGLL
SCHEMBL21149555 0.88 MEN1 (0.36) EP300CTSSMEN1KMT2AELANE
SCHEMBL28403733 0.88 MEN1 (0.36) EP300CTSSMEN1KMT2AELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212832-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 CN disclosed
US-11352329-B2 HIV protease inhibitors GILEAD SCIENCES, INC. (US) 2022-06-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11352329-B2 HIV protease inhibitors PRSS1, SERPINB1, FURIN EP300 880/4885CTSS 27/4885MEN1 2814/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.